HUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| O2 | C1 | sing | 1.34Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O3 | sing | 1.43Å | 1.44Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 125.1° | 120.0° |
| O1 | C1 | C2 | 118.6° | 120.0° |
| O2 | C1 | C2 | 116.3° | 120.0° |
| C1 | O2 | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 112.5° | 109.4° |
| C1 | C2 | C4 | 110.5° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.4° |
| C3 | C2 | C4 | 109.2° | 109.5° |
| C3 | C2 | H2 | 108.1° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C4 | O3 | 105.0° | 109.5° |
| C4 | C2 | H2 | 108.3° | 109.5° |
| C2 | C4 | H6 | 110.6° | 109.4° |
| C2 | C4 | H7 | 110.6° | 109.5° |
| O3 | C4 | H6 | 110.6° | 109.5° |
| O3 | C4 | H7 | 110.6° | 109.5° |
| C4 | O3 | H8 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 179.0° | 180.0° |
| O1 | C1 | C2 | C3 | 16.8° | 120.1° |
| O1 | C1 | C2 | C4 | 105.5° | 0.0° |
| O1 | C1 | O2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 136.1° | 120.0° |
| O2 | C1 | C2 | C3 | 162.2° | 60.0° |
| O2 | C1 | C2 | C4 | 75.5° | 180.0° |
| O2 | C1 | C2 | H2 | 42.9° | 60.0° |
| C1 | C2 | C3 | C4 | 123.0° | 120.0° |
| C1 | C2 | C3 | H2 | 119.3° | 119.9° |
| C1 | C2 | C4 | H2 | 118.2° | 120.0° |
| C1 | C2 | C4 | O3 | 93.1° | 175.0° |
| C2 | C1 | O2 | H1 | 179.0° | 180.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.1° |
| C1 | C2 | C3 | H4 | 60.0° | 180.0° |
| C1 | C2 | C3 | H5 | 60.0° | 60.0° |
| C1 | C2 | C4 | H6 | 147.6° | 65.0° |
| C1 | C2 | C4 | H7 | 26.2° | 55.0° |
| C3 | C2 | C4 | H2 | 117.5° | 120.0° |
| C3 | C2 | C4 | O3 | 142.7° | 65.0° |
| C2 | C3 | H3 | H4 | 120.0° | 119.9° |
| C2 | C3 | H3 | H5 | 120.0° | 120.1° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | C4 | H6 | 23.4° | 55.0° |
| C3 | C2 | C4 | H7 | 98.0° | 175.0° |
| C2 | C4 | O3 | H6 | 119.3° | 119.9° |
| C2 | C4 | O3 | H7 | 119.3° | 120.0° |
| C4 | C2 | C3 | H3 | 57.0° | 60.0° |
| C4 | C2 | C3 | H4 | 177.0° | 59.9° |
| C4 | C2 | C3 | H5 | 63.0° | 180.0° |
| C2 | C4 | H6 | H7 | 122.0° | 120.0° |
| C2 | C4 | O3 | H8 | 180.0° | 180.0° |
| O3 | C4 | C2 | H2 | 25.1° | 55.0° |
| O3 | C4 | H6 | H7 | 122.1° | 120.0° |
| H2 | C2 | C3 | H3 | 60.7° | 180.0° |
| H2 | C2 | C3 | H4 | 59.3° | 60.1° |
| H2 | C2 | C3 | H5 | 179.3° | 59.9° |
| H2 | C2 | C4 | H6 | 94.1° | 175.0° |
| H2 | C2 | C4 | H7 | 144.4° | 65.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H6 | C4 | O3 | H8 | 60.7° | 60.0° |
| H7 | C4 | O3 | H8 | 60.7° | 60.0° |
